SCHEMBL7274547

SCHEMBL7274547

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cn3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PANK3 Q9H999 8/20 0.41
SMO Q99835 1/20 0.41
EP300 Q09472 2/20 0.41
PARP1 P09874 3/20 0.37
PARP2 Q9UGN5 3/20 0.37
P2RX3 P56373 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7273404 0.94 CYP11B1 (0.48) CYP11B1CYP11B2PANK3SMOEP300
SCHEMBL7282605 0.88 CYP11B1 (0.50) CYP11B1CYP11B2EP300HRH3
Hydrochloric Acid SCHEMBL8571479 0.87 CYP11B1 (0.49) CYP11B1CYP11B2EP300HRH3
SCHEMBL7281169 0.84 CYP11B1 (0.48) CYP11B1CYP11B2EP300HRH3
SCHEMBL7272668 0.82 CYP11B1 (0.46) CYP11B1CYP11B2EP300
Hydrochloric Acid SCHEMBL7274283 0.80 ITGB3 (0.43) HRH3
SCHEMBL7282157 0.80 CYP11B1 (0.41) CYP11B1CYP11B2EP300PARP1HRH3
SCHEMBL7281550 0.79 CYP11B1 (0.40) CYP11B1CYP11B2PARP1HRH3
SCHEMBL7275271 0.79 CYP11B1 (0.49) CYP11B1CYP11B2EP300HRH3
Hydrochloric Acid SCHEMBL7283690 0.78 ITGB3 (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed